5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide

C26H31N7O3 — CID 118900987

IUPAC5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(CCC(C)(C)OC)c3ccnc(NC(=O)c4cnn(C)c4)c3)ccc21
InChIInChI=1S/C26H31N7O3/c1-26(2,36-5)10-13-32(20-6-7-22-18(14-20)9-12-33(22)25(35)27-3)21-8-11-28-23(15-21)30-24(34)19-16-29-31(4)17-19/h6-9,11-12,14-17H,10,13H2,1-5H3,(H,27,35)(H,28,30,34)
InChIKeyYLRDOJZZYBWWKF-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.16
Rot. Bonds8

About 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide

5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide (PubChem CID 118900987) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
PubChem CID118900987
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(N(CCC(C)(C)OC)c3ccnc(NC(=O)c4cnn(C)c4)c3)ccc21
InChIInChI=1S/C26H31N7O3/c1-26(2,36-5)10-13-32(20-6-7-22-18(14-20)9-12-33(22)25(35)27-3)21-8-11-28-23(15-21)30-24(34)19-16-29-31(4)17-19/h6-9,11-12,14-17H,10,13H2,1-5H3,(H,27,35)(H,28,30,34)
InChIKeyYLRDOJZZYBWWKF-UHFFFAOYSA-N
XLogP4.16
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethane;5-[3-methoxypropyl-[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020851
5-[[2-[[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzoyl]amino]-4-pyridinyl]-(3-methoxybutyl)amino]-N-methylindole-1-carboxamide
CID 118901124
5-[[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-(2-methoxyethyl)amino]-N-methylindole-1-carboxamide
CID 118901235
5-[2-methoxyethyl-[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118900989
5-[(3-hydroxy-3-methylbutyl)-[2-[[4-[[3-hydroxypentyl(methyl)amino]methyl]benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020847
5-[2-fluoroethyl-[2-[[4-(2-morpholin-4-ylethyl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901127
5-[2-ethoxyethyl-[2-[[4-(1-ethylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901009
5-[[2-(dimethylamino)-2-oxoethyl]-[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 118901203
tert-butyl 4-[4-[[4-[[1-(methylcarbamoyl)indol-5-yl]-(2-propan-2-yloxyethyl)amino]-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 118901067
5-[[2-[[4-[1-(1-hydroxypropan-2-yl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]-(2-propan-2-yloxyethyl)amino]-N-methylindole-1-carboxamide
CID 118901027
5-[ethyl-[2-[[4-[[(5R)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzoyl]amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide
CID 145020714
5-[[2-[[3-[(3-hydroxyazetidin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]-methylamino]-N-methylindole-1-carboxamide
CID 118901285

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide?
The IUPAC name of 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide (CID 118900987) is 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(N(CCC(C)(C)OC)c3ccnc(NC(=O)c4cnn(C)c4)c3)ccc21.
What is the InChIKey of 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide?
The InChIKey is YLRDOJZZYBWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-26(2,36-5)10-13-32(20-6-7-22-18(14-20)9-12-33(22)25(35)27-3)21-8-11-28-23(15-21)30-24(34)19-16-29-31(4)17-19/h6-9,11-12,14-17H,10,13H2,1-5H3,(H,27,35)(H,28,30,34).
What are the key properties of 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide?
5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3-methylbutyl)-[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]amino]-N-methylindole-1-carboxamide is sourced from PubChem (CID 118900987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).